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release: v0.5.3 - #12

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Roy-Kid merged 4 commits into
MolCrafts:masterfrom
Roy-Kid:release/v0.5.3
Aug 13, 2026
Merged

Roy-Kid merged 4 commits into
MolCrafts:masterfrom
Roy-Kid:release/v0.5.3

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@Roy-Kid Roy-Kid commented Aug 13, 2026

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Summary

  • molexp MCP tools accept host-qualified workspace labels (Arrhenius:/abs, user@host:/abs) via a shared resolve helper, matching molexp validate -ws.
  • Also lands the two dev commits not yet on master (validate_workspace rename, Zarr metrics adopt).
  • Patch bump 0.5.2 → 0.5.3.

Test plan

  • local pre-commit ≡ CI + pre-push pytest
  • CI on the PR (must be green before merge)

Delegate layout lint to molexp.workspace.validate_workspace so agents get
actionable error/hint reports instead of a parallel MCP-only findings list.
Treat metrics/zarr/ (dense SoT) as equivalent to metrics.jsonl WAL so
adopt survey and ingest docs match the dual metrics surface.
MCP tools accept Arrhenius:/abs (and user@host:/abs) the same way
molexp validate -ws does, instead of Path-mangling the label.
@Roy-Kid
Roy-Kid merged commit 28959bc into MolCrafts:master Aug 13, 2026
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@Roy-Kid
Roy-Kid deleted the release/v0.5.3 branch August 13, 2026 09:14

This branch was previously deployed

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pypi 096f0de0 Deployed Aug 13, 2026 by Roy-Kid via Publish to PyPI #7
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